2R0L
| Short Form HGFA with Inhibitory Fab75 | Descriptor: | Hepatocyte growth factor activator, antibody heavy chain, Fab portion only, ... | Authors: | Eigenbrot, C, Shia, S. | Deposit date: | 2007-08-20 | Release date: | 2007-12-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insight into distinct mechanisms of protease inhibition by antibodies. Proc.Natl.Acad.Sci.Usa, 104, 2007
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2R0K
| Protease domain of HGFA with inhibitor Fab58 | Descriptor: | Hepatocyte growth factor activator, antibody heavy chain of Fab58, Fab portion only, ... | Authors: | Eigenbrot, C, Shia, S. | Deposit date: | 2007-08-20 | Release date: | 2007-12-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.51 Å) | Cite: | Structural insight into distinct mechanisms of protease inhibition by antibodies. Proc.Natl.Acad.Sci.Usa, 104, 2007
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5KUP
| Bruton's tyrosine kinase (BTK) with pyridazinone compound 9 | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-6-oxidanylidene-5-(pyrimidin-4-ylamino)pyridin-3-yl]pyridin-2-yl]phthalazin-1-one, GLYCEROL, ... | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2016-07-13 | Release date: | 2016-09-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.389 Å) | Cite: | Battling Btk Mutants With Noncovalent Inhibitors That Overcome Cys481 and Thr474 Mutations. Acs Chem.Biol., 11, 2016
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7PTI
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4RX5
| Bruton's tyrosine kinase (BTK) with pyridazinone compound 23 | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, GLYCEROL, N-(6-fluoro-2-methyl-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl)-1-benzothiophene-2-carboxamide, ... | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2014-12-08 | Release date: | 2015-12-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.356 Å) | Cite: | Discovery of highly potent and selective Bruton's tyrosine kinase inhibitors: Pyridazinone analogs with improved metabolic stability. Bioorg.Med.Chem.Lett., 26, 2016
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2FGW
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1JBU
| Coagulation Factor VII Zymogen (EGF2/Protease) in Complex with Inhibitory Exosite Peptide A-183 | Descriptor: | BENZAMIDINE, COAGULATION FACTOR VII, Peptide exosite inhibitor A-183, ... | Authors: | Eigenbrot, C, Kirchhofer, D, Dennis, M.S, Santell, L, Lazarus, R.A, Stamos, J, Ultsch, M.H. | Deposit date: | 2001-06-06 | Release date: | 2001-07-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The factor VII zymogen structure reveals reregistration of beta strands during activation. Structure, 9, 2001
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6RLX
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4Z5R
| Rontalizumab Fab bound to Interferon-a2 | Descriptor: | Interferon alpha-2, SULFATE ION, anti-IFN-a antibody rontalizumab heavy chain modules VH and CH1 (Fab), ... | Authors: | Eigenbrot, C, Maurer, B, Bosanac, I. | Deposit date: | 2015-04-02 | Release date: | 2015-07-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis of the broadly neutralizing anti-interferon-alpha antibody rontalizumab. Protein Sci., 24, 2015
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1FVE
| X-RAY STRUCTURES OF THE ANTIGEN-BINDING DOMAINS FROM THREE VARIANTS OF HUMANIZED ANTI-P185-HER2 ANTIBODY 4D5 AND COMPARISON WITH MOLECULAR MODELING | Descriptor: | IGG1-KAPPA 4D5 FAB (HEAVY CHAIN), IGG1-KAPPA 4D5 FAB (LIGHT CHAIN) | Authors: | Eigenbrot, C, Randal, M, Presta, L, Kossiakoff, A.A. | Deposit date: | 1992-10-20 | Release date: | 1993-10-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | X-ray structures of the antigen-binding domains from three variants of humanized anti-p185HER2 antibody 4D5 and comparison with molecular modeling. J.Mol.Biol., 229, 1993
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1FVC
| X-RAY STRUCTURES OF THE ANTIGEN-BINDING DOMAINS FROM THREE VARIANTS OF HUMANIZED ANTI-P185-HER2 ANTIBODY 4D5 AND COMPARISON WITH MOLECULAR MODELING | Descriptor: | IGG1-KAPPA 4D5 FV (HEAVY CHAIN), IGG1-KAPPA 4D5 FV (LIGHT CHAIN) | Authors: | Eigenbrot, C, Randal, M, Kossiakoff, A.A, Presta, L. | Deposit date: | 1992-10-20 | Release date: | 1993-10-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray structures of the antigen-binding domains from three variants of humanized anti-p185HER2 antibody 4D5 and comparison with molecular modeling. J.Mol.Biol., 229, 1993
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1FVD
| X-RAY STRUCTURES OF THE ANTIGEN-BINDING DOMAINS FROM THREE VARIANTS OF HUMANIZED ANTI-P185-HER2 ANTIBODY 4D5 AND COMPARISON WITH MOLECULAR MODELING | Descriptor: | IGG1-KAPPA 4D5 FAB (HEAVY CHAIN), IGG1-KAPPA 4D5 FAB (LIGHT CHAIN) | Authors: | Eigenbrot, C, Presta, L, Randal, M, Kossiakoff, A.A. | Deposit date: | 1992-10-20 | Release date: | 1993-10-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | X-ray structures of the antigen-binding domains from three variants of humanized anti-p185HER2 antibody 4D5 and comparison with molecular modeling. J.Mol.Biol., 229, 1993
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4RLS
| Lactate Dehydrogenase in complex with inhibitor compound 47 | Descriptor: | (1R)-5'-[(2-chlorophenyl)sulfanyl]-4'-hydroxy-2,3-dihydrospiro[indene-1,2'-pyran]-6'(3'H)-one, (2S)-2-HYDROXYPROPANOIC ACID, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Eigenbrot, C, Ultsch, M.H. | Deposit date: | 2014-10-17 | Release date: | 2014-11-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Identification of 3,6-disubstituted dihydropyrones as inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 24, 2014
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3TJO
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3TJN
| HtrA1 catalytic domain, apo form | Descriptor: | Serine protease HTRA1 | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2011-08-24 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and Functional Analysis of HtrA1 and Its Subdomains. Structure, 20, 2012
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3TJQ
| N-domain of HtrA1 | Descriptor: | CHLORIDE ION, GLYCEROL, PLATINUM (II) ION, ... | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2011-08-24 | Release date: | 2012-05-16 | Last modified: | 2012-06-27 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Structural and Functional Analysis of HtrA1 and Its Subdomains. Structure, 20, 2012
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1FGV
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4IVB
| JAK1 kinase (JH1 domain) in complex with the inhibitor TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXANECARBONITRILE | Descriptor: | Tyrosine-protein kinase JAK1, trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile | Authors: | Eigenbrot, C, Steffek, M. | Deposit date: | 2013-01-22 | Release date: | 2013-05-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2. J.Med.Chem., 56, 2013
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4IVD
| JAK1 kinase (JH1 domain) in complex with compound 34 | Descriptor: | 3-(trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)propanenitrile, Tyrosine-protein kinase JAK1 | Authors: | Eigenbrot, C, Steffek, M. | Deposit date: | 2013-01-22 | Release date: | 2013-05-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2. J.Med.Chem., 56, 2013
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4IVA
| JAK2 kinase (JH1 domain) in complex with the inhibitor TRANS-4-[(8AS)-2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(8AH)-YL]CYCLOHEXANECARBONITRILE | Descriptor: | Tyrosine-protein kinase JAK2, trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile | Authors: | Eigenbrot, C, Shia, S. | Deposit date: | 2013-01-22 | Release date: | 2013-05-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2. J.Med.Chem., 56, 2013
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4HGE
| JAK2 kinase (JH1 domain) in complex with compound 8 | Descriptor: | N-[1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK2 | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2012-10-08 | Release date: | 2012-10-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of potent and selective pyrazolopyrimidine janus kinase 2 inhibitors. J.Med.Chem., 55, 2012
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4IVC
| JAK1 kinase (JH1 domain) in complex with the inhibitor (TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXYL)ACETONITRILE | Descriptor: | (trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)acetonitrile, Tyrosine-protein kinase JAK1 | Authors: | Eigenbrot, C, Shia, S. | Deposit date: | 2013-01-22 | Release date: | 2013-05-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2. J.Med.Chem., 56, 2013
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3NZ0
| Non-phosphorylated TYK2 kinase with CMP6 | Descriptor: | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2010-07-15 | Release date: | 2010-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A new regulatory switch in a JAK protein kinase. Proteins, 79, 2011
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3NYX
| Non-phosphorylated TYK2 JH1 domain with Quinoline-Thiadiazole-Thiophene Inhibitor | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, N-{5-[(7-chloroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2010-07-15 | Release date: | 2010-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A new regulatory switch in a JAK protein kinase. Proteins, 79, 2011
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3P0Y
| anti-EGFR/HER3 Fab DL11 in complex with domain III of EGFR extracellular region | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ... | Authors: | Eigenbrot, C, Shia, S. | Deposit date: | 2010-09-29 | Release date: | 2011-10-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A two-in-one antibody against HER3 and EGFR has superior inhibitory activity compared with monospecific antibodies. Cancer Cell, 20, 2011
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